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9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one

PropertiesImage
MNX_IDMNXM118703 Image of MNXM118703
referencechebi:175460
formulaC21H32O4
global charge0
mol weight348.483
InChIKeyAIZCSTFUIXPHFD-XYOKQWHBSA-N
InChIInChI=1S/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+
SMILESC=C1C(OC(=O)/C=C(\C)CC)CC(C(C)C)C2C1CC(=O)C2C(C)O
MNX internals
InChI (mnx)InChI=1/C21H32O4/c1-7-12(4)8-19(24)25-18-10-15(11(2)3)21-16(13(18)5)9-17(23)20(21)14(6)22/h8,11,14-16,18,20-22H,5,7,9-10H2,1-4,6H3/b12-8+/t14?,15?,16?,18?,20?,21? Image of MNXM118703
SMILES (mnx)[CH3:1][CH2:7]/[C:12]([CH3:4])=[CH:8]/[C:19](=[O:24])[O:25][CH:18]1[CH2:10][CH:15]([CH:11]([CH3:2])[CH3:3])[CH:21]2[CH:16]([CH2:9][C:17](=[O:23])[CH:20]2[CH:14]([CH3:6])[OH:22])[C:13]1=[CH2:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175460
chebi:175460
AIZCSTFUIXPHFD-XYOKQWHBSA-N 		9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
[1-(1-hydroxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
hmdb:HMDB0040954
AIZCSTFUIXPHFD-XYOKQWHBSA-N 		9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
1-(1-Hydroxyethyl)-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoic acid
1-(1-hydroxyethyl)-4-methylidene-2-oxo-7-(propan-2-yl)-octahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
1-(1-hydroxyethyl)-7-isopropyl-4-methylidene-2-oxo-hexahydro-1H-inden-5-yl (2E)-3-methylpent-2-enoate
9a-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
9alpha-(3-methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one

hmdb:HMDB40954 		secondary/obsolete/fantasy identifier